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    • Machine-Learning-Assisted Construction of Ternary Convex Hull Diagrams 

      Rossignol, Hugo Alexandre; Sanvito, Stefano; Minotakis, Michael; Cobelli, Matteo (Journal of Chemical Information and Modeling, 2024-01-25)
      In the search for novel intermetallic ternary alloys, much of the effort goes into performing a large number of ab initio calculations covering a wide range of compositions and structures. These are essential to building ...